SCHEMBL13407750

SCHEMBL13407750

Cc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.75
▸ TP53 P04637 2/20 0.75
▸ KMT2A Q03164 8/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ ALDH1A1 P00352 5/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ KDM4E B2RXH2 2/20 0.57
▸ RECQL P46063 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ GAA P10253 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ HTT P42858 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13407754 0.90 KDM4E (0.70) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL12682848 0.90 ALDH1A1 (0.70) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL9972172 0.84 MAPT (0.76) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL9972173 0.82 MAPT (0.72) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL5805462 0.81 KDM4E (0.71) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL5804110 0.79 KDM4E (0.74) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL541068 0.78 KMT2A (0.73) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL18826078 0.77 KMT2A (0.76) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL12857883 0.77 KMT2A (0.74) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL8002634 0.76 MAPT (0.67) MAPTTP53KMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024662-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2014-01-23 — — US disclosed
US-20100087453-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140024662-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT ASAH2, LITAF, CYP27A1 MAPT 1778/4885TP53 227/4885KMT2A 4813/4885
US-20100087453-A1 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT ASAH2, LITAF, CYP27A1 MAPT 1778/4885TP53 260/4885KMT2A 4822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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